Information card for entry 4063357

Structure parameters

• Formula: C50 H84 Cl2 N5 O P Ru
• Calculated formula: C50 H84 Cl2 N5 O P Ru
• SMILES: C(c1ccc(cc1)N(C)C)=[Ru]([n]1ccc(cc1)N(C)C)([n]1ccc(cc1)N(C)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Cl)Cl.O1CCCC1.CCCCC
• Title of publication: pH-Responsive Ruthenium-Based Olefin Metathesis Catalysts: Controlled Ring-Opening Metathesis Polymerization in Alcoholic and Aqueous Media upon Acid Addition
• Authors of publication: Dunbar, Miles A.; Balof, Shawna L.; Roberts, Adam N.; Valente, Edward J.; Schanz, Hans-Jörg
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 2
• Pages of publication: 199 - 203
• a: 12.0338 ± 0.0003 Å
• b: 15.1641 ± 0.0005 Å
• c: 15.8446 ± 0.0004 Å
• α: 94.807 ± 0.002°
• β: 102.265 ± 0.002°
• γ: 111.302 ± 0.003°
• Cell volume: 2590.85 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No